N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide

C23H29F6N3O2 — CID 140543782

IUPACN-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide
SMILESN[C@H]1CC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1NC(=O)C1CCCCC1
InChIInChI=1S/C23H29F6N3O2/c24-22(25,26)15-10-16(23(27,28)29)12-17(11-15)31-20(33)9-13-6-7-19(18(30)8-13)32-21(34)14-4-2-1-3-5-14/h10-14,18-19H,1-9,30H2,(H,31,33)(H,32,34)/t13?,18-,19+/m0/s1
InChIKeyUISQOPVOZQTEQF-WFELRXAXSA-N
MW493.49 g/mol
LogP5.25
Rot. Bonds5

About N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide

N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide (PubChem CID 140543782) has the molecular formula C23H29F6N3O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide
PubChem CID140543782
Molecular FormulaC23H29F6N3O2
Molecular Weight493.49 g/mol
Exact Mass493.22
IUPAC NameN-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide
SMILESN[C@H]1CC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1NC(=O)C1CCCCC1
InChIInChI=1S/C23H29F6N3O2/c24-22(25,26)15-10-16(23(27,28)29)12-17(11-15)31-20(33)9-13-6-7-19(18(30)8-13)32-21(34)14-4-2-1-3-5-14/h10-14,18-19H,1-9,30H2,(H,31,33)(H,32,34)/t13?,18-,19+/m0/s1
InChIKeyUISQOPVOZQTEQF-WFELRXAXSA-N
XLogP5.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide (CID 140543782) is N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide is N[C@H]1CC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1NC(=O)C1CCCCC1.
What is the InChIKey of N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide?
The InChIKey is UISQOPVOZQTEQF-WFELRXAXSA-N. The full InChI is InChI=1S/C23H29F6N3O2/c24-22(25,26)15-10-16(23(27,28)29)12-17(11-15)31-20(33)9-13-6-7-19(18(30)8-13)32-21(34)14-4-2-1-3-5-14/h10-14,18-19H,1-9,30H2,(H,31,33)(H,32,34)/t13?,18-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide?
N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide has a molecular weight of 493.49 g/mol, XLogP of 5.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide is sourced from PubChem (CID 140543782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).